[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone

C18H26N2O5S — CID 2992541

IUPAC[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C18H26N2O5S/c1-2-25-16-5-7-17(8-6-16)26(22,23)20-9-3-4-15(14-20)18(21)19-10-12-24-13-11-19/h5-8,15H,2-4,9-14H2,1H3
InChIKeyQOQDWUCVIHMEHK-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.34
Rot. Bonds5

About [1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone

[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 2992541) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID2992541
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCOc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C18H26N2O5S/c1-2-25-16-5-7-17(8-6-16)26(22,23)20-9-3-4-15(14-20)18(21)19-10-12-24-13-11-19/h5-8,15H,2-4,9-14H2,1H3
InChIKeyQOQDWUCVIHMEHK-UHFFFAOYSA-N
XLogP1.34
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone (CID 2992541) is [1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone is CCOc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of [1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is QOQDWUCVIHMEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-2-25-16-5-7-17(8-6-16)26(22,23)20-9-3-4-15(14-20)18(21)19-10-12-24-13-11-19/h5-8,15H,2-4,9-14H2,1H3.
What are the key properties of [1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 382.48 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2992541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).